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Home > Fluorides > 133186-55-7
133186-55-7 | Ethanone, 1-(3,5-difluoro-4-hydroxyphenyl)-
CAS No: 133186-55-7 Catalog No: AG0014E4 MDL No:MFCD09787482
Product Description
Catalog Number:
AG0014E4
Chemical Name:
Ethanone, 1-(3,5-difluoro-4-hydroxyphenyl)-
CAS Number:
133186-55-7
Molecular Formula:
C8H6F2O2
Molecular Weight:
172.1288
MDL Number:
MFCD09787482
IUPAC Name:
1-(3,5-difluoro-4-hydroxyphenyl)ethanone
InChI:
InChI=1S/C8H6F2O2/c1-4(11)5-2-6(9)8(12)7(10)3-5/h2-3,12H,1H3
InChI Key:
QPXWOHYRUCULSO-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc(F)c(c(c1)F)O
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.034g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.131g/mol
Monoisotopic Mass:
172.034g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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